Unexpected protonation state of Glu197 discovered from simulations of tacrine in butyrylcholinesterase-Reference-Cited by-同舟云学术

Unexpected protonation state of Glu197 discovered from simulations of tacrine in butyrylcholinesterase

Author:

Wan Xiao¹²³⁴⁵,Yao Yuan⁶⁷⁸⁹⁵^ORCID,Fang Lei¹⁰¹¹⁵,Liu Junjun¹²³⁴⁵^ORCID

Affiliation:

1. School of Pharmacy

2. Tongji Medical College

3. Huazhong University of Science and Technology

4. Wuhan

5. P. R. China

6. MIIT Key Laboratory of Critical Materials Technology for New Energy Conversion and Storage

7. School of Chemistry and Chemical Engineering

8. Harbin Institute of Technology

9. Harbin

10. Xtalpi Incorporation

11. Shenzhen

Abstract

An inappropriate protonation state of Glu197 results in a distorted catalytic triad of BChE.

Funder

National Natural Science Foundation of China

Natural Science Foundation of Hubei Province

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference39 articles.

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